R0W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.54Å
C1	O2	doub	1.21Å	1.26Å
C1	O3	sing	1.34Å	1.26Å
C2	C15	sing	1.53Å	1.54Å
C2	C3	sing	1.55Å	1.51Å
C2	F2	sing	1.40Å	1.36Å
C3	N1	sing	1.49Å	1.44Å
N1	C4	sing	1.38Å	1.47Å
N1	C14	sing	1.49Å	1.48Å
C4	N4	doub	1.33Å	1.31Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C5	C12	doub	1.40Å	1.41Å	Aromatic
C5	C6	sing	1.47Å	1.46Å	Aromatic
C6	C11	doub	1.39Å	1.41Å	Aromatic
C6	C7	sing	1.40Å	1.41Å	Aromatic
C7	C8	doub	1.39Å	1.38Å	Aromatic
C7	N2	sing	1.39Å	1.29Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
C9	F1	sing	1.35Å	1.37Å
C10	C11	sing	1.38Å	1.40Å	Aromatic
N2	C12	sing	1.37Å	1.28Å	Aromatic
C12	N3	sing	1.33Å	1.34Å	Aromatic
N3	C13	doub	1.32Å	1.32Å	Aromatic
C13	N4	sing	1.32Å	1.31Å	Aromatic
C14	C15	sing	1.53Å	1.57Å
C15	C17	sing	1.53Å	1.52Å
C15	C16	sing	1.53Å	1.52Å
C16	O1	sing	1.44Å	1.43Å
O1	C17	sing	1.44Å	1.43Å
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C10	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C14	H9	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C8	H3	sing	1.08Å	1.08Å
N2	H6	sing	0.97Å	1.00Å
O3	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O2	119.9°	120.0°
C2	C1	O3	120.4°	120.0°
C1	C2	C15	113.4°	110.4°
C1	C2	C3	110.3°	110.5°
C1	C2	F2	108.8°	110.4°
O2	C1	O3	119.8°	120.0°
C1	O3	H14	109.5°	117.0°
C15	C2	C3	106.2°	104.6°
C15	C2	F2	109.2°	110.4°
C2	C15	C14	98.2°	106.3°
C2	C15	C17	126.4°	115.8°
C2	C15	C16	118.8°	115.8°
C3	C2	F2	109.0°	110.5°
C2	C3	N1	106.9°	104.7°
C2	C3	H1	110.1°	110.5°
C2	C3	H2	110.1°	110.4°
C3	N1	C4	118.4°	111.1°
C3	N1	C14	107.8°	104.4°
N1	C3	H1	110.1°	110.3°
N1	C3	H2	110.1°	110.4°
C4	N1	C14	126.7°	111.0°
N1	C4	N4	115.3°	120.8°
N1	C4	C5	124.2°	120.8°
N1	C14	C15	108.9°	104.3°
N1	C14	H9	109.6°	110.5°
N1	C14	H8	109.6°	110.6°
N4	C4	C5	120.4°	118.4°
C4	N4	C13	119.5°	120.9°
C4	C5	C12	113.9°	118.8°
C4	C5	C6	141.7°	134.6°
C12	C5	C6	104.4°	106.6°
C5	C12	N2	108.1°	108.4°
C5	C12	N3	125.8°	118.4°
C5	C6	C11	138.3°	133.7°
C5	C6	C7	104.6°	106.3°
C11	C6	C7	117.1°	120.0°
C6	C11	C10	120.8°	119.9°
C6	C11	H5	119.6°	120.1°
C6	C7	C8	121.7°	119.4°
C6	C7	N2	107.5°	108.3°
C8	C7	N2	130.8°	132.4°
C7	C8	C9	120.6°	120.1°
C7	C8	H3	119.7°	120.0°
C7	N2	C12	115.5°	110.4°
C7	N2	H6	122.2°	124.8°
C8	C9	C10	119.6°	120.5°
C8	C9	F1	120.3°	119.8°
C9	C8	H3	119.7°	119.9°
C10	C9	F1	120.1°	119.8°
C9	C10	C11	120.2°	120.2°
C9	C10	H4	119.9°	119.9°
C11	C10	H4	119.9°	119.9°
C10	C11	H5	119.6°	120.1°
N2	C12	N3	126.2°	133.2°
C12	N2	H6	122.3°	124.8°
C12	N3	C13	112.8°	120.8°
N3	C13	N4	127.5°	122.6°
N3	C13	H7	116.2°	118.7°
N4	C13	H7	116.2°	118.7°
C14	C15	C17	114.7°	115.8°
C14	C15	C16	117.7°	115.8°
C15	C14	H9	109.6°	110.4°
C15	C14	H8	109.6°	110.5°
C17	C15	C16	82.7°	87.0°
C15	C17	O1	93.5°	85.1°
C15	C17	H13	113.3°	113.9°
C15	C17	H12	113.3°	114.0°
C15	C16	O1	93.3°	85.1°
C15	C16	H11	113.3°	113.9°
C15	C16	H10	113.4°	113.9°
C16	O1	C17	89.2°	93.6°
O1	C16	H11	113.4°	113.9°
O1	C16	H10	113.3°	113.9°
O1	C17	H13	113.3°	113.9°
O1	C17	H12	113.3°	113.9°
H1	C3	H2	109.4°	110.5°
H9	C14	H8	109.5°	110.5°
H11	C16	H10	109.5°	113.2°
H13	C17	H12	109.5°	113.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O2	O3	179.9°	179.7°
C1	C2	C15	C3	121.2°	118.8°
C1	C2	C15	F2	121.4°	122.3°
C1	C2	C3	F2	119.3°	122.4°
C1	C2	C3	N1	154.2°	95.1°
C1	C2	C15	C14	155.0°	118.5°
C1	C2	C15	C17	76.0°	111.4°
C1	C2	C15	C16	27.0°	11.7°
C1	C2	C3	H1	86.2°	146.2°
C1	C2	C3	H2	34.6°	23.7°
C2	C1	O3	H14	179.9°	180.0°
O2	C1	C2	C15	95.9°	84.2°
O2	C1	C2	C3	145.2°	31.0°
O2	C1	C2	F2	25.8°	153.6°
O2	C1	O3	H14	0.0°	0.3°
O3	C1	C2	C15	84.2°	96.2°
O3	C1	C2	C3	34.7°	148.6°
O3	C1	C2	F2	154.2°	26.1°
C15	C2	C3	F2	117.5°	118.8°
C15	C2	C3	N1	31.0°	23.7°
C2	C15	C14	N1	26.3°	23.1°
C2	C15	C14	C17	136.6°	130.2°
C2	C15	C14	C16	128.7°	130.1°
C2	C15	C17	C16	120.5°	117.3°
C2	C15	C16	O1	136.4°	139.4°
C2	C15	C17	O1	129.2°	139.3°
C15	C2	C3	H1	150.6°	95.1°
C15	C2	C3	H2	88.6°	142.5°
C2	C15	C14	H9	93.6°	141.7°
C2	C15	C14	H8	146.2°	95.8°
C2	C15	C16	H11	106.4°	25.3°
C2	C15	C16	H10	19.2°	106.6°
C2	C15	C17	H13	12.0°	106.6°
C2	C15	C17	H12	113.5°	25.3°
C2	C3	N1	H1	119.6°	118.9°
C2	C3	N1	H2	119.6°	118.8°
C2	C3	N1	C4	139.3°	158.5°
C2	C3	N1	C14	13.2°	38.9°
C3	C2	C15	C14	33.7°	0.4°
C3	C2	C15	C17	162.8°	129.8°
C3	C2	C15	C16	94.3°	130.5°
C2	C3	H1	H2	121.2°	122.4°
F2	C2	C3	N1	86.5°	142.5°
F2	C2	C15	C14	83.6°	119.2°
F2	C2	C15	C17	45.4°	10.9°
F2	C2	C15	C16	148.4°	110.6°
F2	C2	C3	H1	33.1°	23.7°
F2	C2	C3	H2	153.9°	98.7°
C3	N1	C4	C14	146.7°	115.7°
C3	N1	C4	N4	34.3°	57.5°
C3	N1	C4	C5	146.6°	122.4°
C3	N1	C14	C15	9.1°	38.4°
N1	C3	H1	H2	121.2°	122.4°
C3	N1	C14	H9	110.8°	157.1°
C3	N1	C14	H8	129.1°	80.3°
N1	C4	N4	C5	179.2°	179.9°
N1	C4	C5	C12	180.0°	179.9°
N1	C4	C5	C6	0.6°	0.0°
N1	C4	N4	C13	179.9°	180.0°
C4	N1	C14	C15	158.7°	158.2°
C4	N1	C3	H1	19.7°	39.7°
C4	N1	C3	H2	101.1°	82.7°
C4	N1	C14	H9	38.8°	83.2°
C4	N1	C14	H8	81.4°	39.4°
C14	N1	C4	N4	179.0°	58.2°
C14	N1	C4	C5	0.1°	122.0°
N1	C14	C15	H9	119.9°	118.7°
N1	C14	C15	H8	119.9°	118.8°
N1	C14	C15	C17	162.9°	153.2°
N1	C14	C15	C16	102.4°	107.1°
C14	N1	C3	H1	132.8°	80.0°
C14	N1	C3	H2	106.4°	157.6°
N1	C14	H9	H8	120.2°	122.6°
N4	C4	C5	C12	0.9°	0.1°
N4	C4	C5	C6	179.7°	179.9°
C4	N4	C13	N3	0.4°	0.1°
C4	N4	C13	H7	179.6°	180.0°
C4	C5	C12	C6	179.6°	180.0°
C4	C5	C6	C11	0.6°	0.0°
C4	C5	C6	C7	179.5°	180.0°
C4	C5	C12	N2	179.6°	180.0°
C4	C5	C12	N3	0.3°	0.0°
C5	C4	N4	C13	1.0°	0.1°
C12	C5	C6	C11	179.9°	180.0°
C12	C5	C6	C7	0.0°	0.0°
C5	C12	N2	C7	0.0°	0.0°
C5	C12	N2	N3	179.9°	180.0°
C5	C12	N3	C13	0.2°	0.0°
C5	C12	N2	H6	180.0°	180.0°
C5	C6	C11	C7	179.9°	180.0°
C5	C6	C7	C8	179.9°	179.9°
C5	C6	C7	N2	0.0°	0.0°
C5	C6	C11	C10	179.9°	180.0°
C6	C5	C12	N2	0.0°	0.0°
C6	C5	C12	N3	179.9°	180.0°
C5	C6	C11	H5	0.2°	0.0°
C11	C6	C7	C8	0.2°	0.1°
C11	C6	C7	N2	180.0°	180.0°
C6	C11	C10	C9	0.0°	0.3°
C6	C11	C10	H5	180.0°	180.0°
C6	C11	C10	H4	180.0°	180.0°
C6	C7	C8	N2	179.8°	179.9°
C6	C7	C8	C9	0.1°	0.4°
C7	C6	C11	C10	0.2°	0.0°
C6	C7	N2	C12	0.1°	0.0°
C7	C6	C11	H5	179.8°	179.9°
C6	C7	C8	H3	179.9°	180.0°
C6	C7	N2	H6	180.0°	180.0°
C7	C8	C9	H3	180.0°	179.6°
C7	C8	C9	C10	0.3°	0.6°
C7	C8	C9	F1	179.7°	179.9°
C8	C7	N2	C12	179.9°	179.9°
C8	C7	N2	H6	0.1°	0.1°
N2	C7	C8	C9	179.7°	179.7°
C7	N2	C12	H6	180.0°	180.0°
C7	N2	C12	N3	180.0°	180.0°
N2	C7	C8	H3	0.3°	0.1°
C8	C9	C10	F1	179.4°	179.4°
C8	C9	C10	C11	0.3°	0.6°
C8	C9	C10	H4	179.7°	179.7°
C9	C10	C11	H4	180.0°	179.8°
C9	C10	C11	H5	180.0°	179.8°
C10	C9	C8	H3	179.7°	179.7°
F1	C9	C10	C11	179.7°	180.0°
F1	C9	C10	H4	0.3°	0.2°
F1	C9	C8	H3	0.3°	0.3°
N2	C12	N3	C13	179.9°	180.0°
C12	N3	C13	N4	0.2°	0.0°
C12	N3	C13	H7	179.8°	180.0°
N3	C12	N2	H6	0.0°	0.0°
N3	C13	N4	H7	180.0°	179.9°
C14	C15	C17	C16	117.2°	117.3°
C14	C15	C16	O1	105.4°	95.3°
C14	C15	C17	O1	108.5°	95.3°
C15	C14	H9	H8	120.3°	122.5°
C14	C15	C16	H11	11.8°	150.7°
C14	C15	C16	H10	137.4°	18.8°
C14	C15	C17	H13	134.3°	18.8°
C14	C15	C17	H12	8.7°	150.7°
C17	C15	C16	O1	8.7°	22.0°
C15	C17	O1	H13	117.2°	114.0°
C15	C17	O1	H12	117.2°	114.1°
C17	C15	C14	H9	43.0°	88.1°
C17	C15	C14	H8	77.2°	34.4°
C17	C15	C16	H11	125.9°	92.0°
C17	C15	C16	H10	108.5°	136.1°
C15	C17	H13	H12	127.6°	132.3°
C15	C16	O1	H11	117.2°	114.1°
C15	C16	O1	H10	117.2°	114.0°
C16	C15	C14	H9	137.7°	11.6°
C16	C15	C14	H8	17.5°	134.1°
C15	C16	H11	H10	127.6°	132.2°
C16	C15	C17	H13	108.5°	136.1°
C16	C15	C17	H12	125.9°	92.0°
O1	C16	H11	H10	127.6°	132.3°
C16	O1	C17	H13	108.1°	137.4°
C16	O1	C17	H12	126.4°	90.7°
C17	O1	C16	H11	126.4°	90.7°
C17	O1	C16	H10	108.1°	137.4°
O1	C17	H13	H12	127.5°	132.3°
H4	C10	C11	H5	0.0°	0.0°

Release date:	2022-07-06
Definition date:	2022-06-14
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	5SRB